data_global _chemical_name_mineral 'Itoigawaite' loop_ _publ_author_name 'Liebscher A' 'Dorsam G' 'Franz G' 'Wunder B' 'Gottschalk M' _journal_name_full 'American Mineralogist' _journal_volume 95 _journal_year 2010 _journal_page_first 724 _journal_page_last 735 _publ_section_title ; Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU91 ; _database_code_amcsd 0018940 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Ca.273 Sr.727) Al2 Si2 O10 H4' _cell_length_a 5.3962 _cell_length_b 13.2461 _cell_length_c 5.8505 _cell_angle_alpha 90 _cell_angle_beta 124.39 _cell_angle_gamma 90 _cell_volume 345.092 _exptl_crystal_density_diffrn 3.357 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca 0.34630 0.75000 0.68370 0.27300 Sr 0.34630 0.75000 0.68370 0.72700 Al1 0.50000 0.00000 0.00000 1.00000 Al2 0.50000 0.00000 0.50000 1.00000 Si 0.96510 0.13110 0.98880 1.00000 O1 0.94800 0.75000 0.93900 1.00000 O2 0.76700 0.11260 0.66300 1.00000 O3 0.78300 0.39360 0.12400 1.00000 O4 0.28900 0.07040 0.14500 1.00000 O-H5 0.28700 0.05540 0.64300 1.00000 Wat6 0.74200 0.75000 0.30600 1.00000